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P31645 | SC6A4_HUMAN | Sodium-dependent serotonin transporter (SLC6A4)

3D structures mapped by conservation among orthologs

[ Domain: "Sodium:neurotransmitter symporter family (SNF)-like" // SNF ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1762471 OBDepict HO O O HO CH 3 HN O H Cl Cl IC50 = 0.0 nM 426.3 CNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL1763071 single protein format
CHEMBL180672 OBDepict N O Cl HO H N H CH 3 CH 3 IC50 = 0.002 nM 408.93 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N Homo sapiens CHEMBL1055306 single protein format
CHEMBL382741 OBDepict N O OH H N H H 3 C H 3 C IC50 = 0.003 nM 374.48 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N Homo sapiens CHEMBL1055306 single protein format
CHEMBL361259 OBDepict CH 3 S H N H Ki = 0.01 nM 295.45 CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1 Homo sapiens CHEMBL805626 cell-based format
CHEMBL2314218 OBDepict CH 3 N CH 3 S NH 2 I Ki = 0.013 nM 380.29 CN(C)Cc1ccccc1Sc1ccc([123I])cc1N Homo sapiens CHEMBL2318000 single protein format
CHEMBL570593 OBDepict N O HO H O OH N H CH 3 CH 3 IC50 = 0.023 nM 446.55 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(=O)O)cc1C#N Homo sapiens CHEMBL1055306 single protein format
CHEMBL239079 OBDepict F O S N CH 3 H 3 C NH 2 Cl Ki = 0.03 nM 354.88 CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N Homo sapiens CHEMBL902862 cell-based format
CHEMBL2314217 OBDepict HO S N I H 3 C CH 3 Ki = 0.03 nM 399.3 CN(C)Cc1cc(I)ccc1Sc1ccccc1CO Homo sapiens CHEMBL2318002 cell-based format
CHEMBL14531 OBDepict Br NH O O CH 3 Ki = 0.04 nM 350.26 COC(=O)C1C2CCC(CC1c1ccc(/C=CBr)cc1)N2 Homo sapiens CHEMBL804588 cell-based format
CHEMBL415 OBDepict H 3 C N H 3 C N Cl Ki = 0.047 nM 314.86 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 Homo sapiens CHEMBL1909109 cell membrane format
CHEMBL428706 OBDepict I NH O O CH 3 Ki = 0.05 nM 397.26 COC(=O)C1C2CCC(CC1c1ccc(/C=CI)cc1)N2 Homo sapiens CHEMBL804588 cell-based format
CHEMBL174088 OBDepict I H H HN O O H 3 C Ki = 0.05 nM 397.26 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=CI)cc1)N2 Homo sapiens CHEMBL804591 cell-based format
CHEMBL239297 OBDepict F O S N CH 3 H 3 C NH 2 Br Ki = 0.05 nM 399.33 CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Br)cc1N Homo sapiens CHEMBL902862 cell-based format
CHEMBL356750 OBDepict H 3 C N CH 3 H H Cl Cl Ki = 0.06 nM 306.24 CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 Homo sapiens CHEMBL799116 single protein format
CHEMBL572163 OBDepict OH O O OH H N H CH 3 CH 3 IC50 = 0.068 nM 421.54 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(=O)O)cc1 Homo sapiens CHEMBL1055306 single protein format
CHEMBL206580 OBDepict CH 3 H 3 C N NH F F F OH O O OH Ki = 0.07 nM 430.47 CC(C)CN(Cc1ccc(C(F)(F)F)cc1)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL809 OBDepict H 3 C N H H H Cl Cl Ki = 0.075 nM 306.24 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 Homo sapiens CHEMBL1909109 cell membrane format
CHEMBL490 OBDepict F H H HN O O O Ki = 0.077 nM 329.37 Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 Homo sapiens CHEMBL812553 single protein format
CHEMBL1204009 OBDepict H 3 C O O O N OH H N H H 3 C CH 3 ClH IC50 = 0.078 nM 511.06 CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl Homo sapiens CHEMBL1055306 single protein format
CHEMBL14257 OBDepict H 3 C O O NH Br Br Ki = 0.08 nM 429.15 COC(=O)C1C2CCC(CC1c1ccc(C=C(Br)Br)cc1)N2 Homo sapiens CHEMBL804588 cell-based format
CHEMBL2314215 OBDepict F O O H H NH H H I Ki = 0.08 nM 429.27 O=C(OCCF)[C@H]1[C@@H](c2ccc(/C=CI)cc2)C[C@H]2CC[C@H]1N2 Homo sapiens CHEMBL2318000 single protein format
CHEMBL230000 OBDepict F O O NH I Ki = 0.08 nM 429.27 O=C(OCCF)C1C2CCC(CC1c1ccc(/C=CI)cc1)N2 Homo sapiens CHEMBL896041 cell-based format
CHEMBL14305 OBDepict Br N O O H 3 C H 3 C Ki = 0.08 nM 364.28 COC(=O)C1C(c2ccc(/C=CBr)cc2)CC2CCC1N2C Homo sapiens CHEMBL804588 cell-based format
CHEMBL1628650 OBDepict F H H NH O T O O Ki = 0.08 nM 331.38 [3H]c1cc2c(cc1OC[C@@H]1CNCC[C@H]1c1ccc(F)cc1)OCO2 Homo sapiens CHEMBL984440 cell membrane format
CHEMBL395998 OBDepict F O O NH I Ki = 0.08 nM 428.28 O=C(OCC[18F])C1C2CCC(CC1c1ccc(/C=CI)cc1)N2 Homo sapiens CHEMBL1017073 cell-based format
CHEMBL415 OBDepict H 3 C N H 3 C N Cl IC50 = 0.088 nM 314.86 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 Homo sapiens CHEMBL1909109 cell membrane format
CHEMBL380383 OBDepict I N CH 2 Ki = 0.09 nM 351.23 C=C1CN2C3CCC2C1C(c1ccc(I)cc1)C3 Homo sapiens CHEMBL908066 cell-based format
CHEMBL2314219 OBDepict OH S I N CH 3 CH 3 Ki = 0.097 nM 395.3 CN(C)Cc1ccccc1Sc1ccc([123I])cc1CO Homo sapiens CHEMBL2318000 single protein format
CHEMBL114275 OBDepict OH S I N CH 3 CH 3 Ki = 0.097 nM 399.3 CN(C)Cc1ccccc1Sc1ccc(I)cc1CO Homo sapiens CHEMBL805626 cell-based format
CHEMBL238868 OBDepict F O S N CH 3 H 3 C NH 2 F Ki = 0.1 nM 338.42 CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N Homo sapiens CHEMBL902862 cell-based format
CHEMBL83617 OBDepict F N H N O O NH 2 Ki = 0.1 nM 419.5 NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 Homo sapiens CHEMBL892232 cell-based format
CHEMBL275212 OBDepict I N O O H 3 C H 3 C Ki = 0.11 nM 411.28 COC(=O)C1C(c2ccc(/C=CI)cc2)CC2CCC1N2C Homo sapiens CHEMBL804588 cell-based format
CHEMBL83617 OBDepict F N H N O O NH 2 IC50 = 0.11 nM 419.5 NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 Homo sapiens CHEMBL882908 single protein format
CHEMBL183470 OBDepict OH O I N CH 3 CH 3 Ki = 0.12 nM 383.23 CN(C)Cc1ccccc1Oc1ccc(I)cc1CO Homo sapiens CHEMBL877452 cell-based format
CHEMBL239302 OBDepict F O S N H 3 C CH 3 NH 2 Br Ki = 0.15 nM 413.36 CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N Homo sapiens CHEMBL902862 cell-based format
CHEMBL4281744 OBDepict CH O O N H O O N H 3 C CH 3 F Ki = 0.16 nM 590.7 C#CCOc1ccc(C(=O)c2ccc(C(=O)NCc3ccc4c(c3)CO[C@@]4(CCCN(C)C)c3ccc(F)cc3)cc2)cc1 Homo sapiens CHEMBL4268878 cell-based format
CHEMBL173344 OBDepict H 3 C O H N H H CH 2 H 3 C IC50 = 0.16 nM 283.42 C=C(C)c1ccc([C@H]2CC3CCC(N3)[C@H]2C(=O)CC)cc1 Homo sapiens CHEMBL808141 single protein format
CHEMBL41140 OBDepict _ O + N O N N HN Ki = 0.17 nM 258.28 O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1 Homo sapiens CHEMBL1949348 single protein format
CHEMBL574544 OBDepict H 3 C O O H NH H S CH 3 Ki = 0.19 nM 291.42 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2 Homo sapiens CHEMBL1040429 single protein format
CHEMBL385173 OBDepict Br H H NH O O CH 3 Ki = 0.2 nM 350.26 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/Br)c1)N2 Homo sapiens CHEMBL912350 single protein format
CHEMBL216736 OBDepict I H H NH O O CH 3 Ki = 0.2 nM 397.26 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/I)c1)N2 Homo sapiens CHEMBL912350 single protein format
CHEMBL397889 OBDepict OH O S N H 3 C CH 3 NH 2 Br Ki = 0.21 nM 411.37 CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N Homo sapiens CHEMBL902862 cell-based format
CHEMBL2386163 OBDepict OH O OH HO O HO CH 3 O N CH 3 O H H N H CH 3 CH 3 Ki = 0.21 nM 428.48 COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1.O=C(O)C(O)C(O)C(=O)O Homo sapiens CHEMBL2389183 cell-based format
CHEMBL1275709 OBDepict N N H H H N CH 3 H 3 C IC50 = 0.22 nM 253.35 CN(C)[C@@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc23)C1 Homo sapiens CHEMBL1285514 single protein format
CHEMBL2386164 OBDepict CH 3 O N CH 3 O H H NH H 3 C CH 3 Ki = 0.23 nM 278.4 COc1ccc(O[C@H](CC(C)C)[C@H]2CCNC2)c(C)n1 Homo sapiens CHEMBL2389183 cell-based format
CHEMBL129238 OBDepict F S H N H H 3 C OH H O N H 3 C H Ki = 0.24 nM 452.6 Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cc(F)ccc5s4)C[C@@H]3C)cccc2[nH]1 Homo sapiens CHEMBL866278 single protein format
CHEMBL238867 OBDepict F O S N H 3 C CH 3 NH 2 Ki = 0.25 nM 320.43 CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N Homo sapiens CHEMBL902862 cell-based format
CHEMBL22183 OBDepict CH 3 N CH 3 S H 2 N CH 3 Ki = 0.25 nM 272.42 Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1 Homo sapiens CHEMBL830133 cell-based format
CHEMBL1088000 OBDepict O HN N H O O N H O Ki = 0.26 nM 473.57 O=C1CCc2ccc(CC3CC4CCC(C3)N4C[C@@H]3COc4c(ccc5c4CC(=O)N5)O3)cc2N1 Homo sapiens CHEMBL1110024 single protein format
CHEMBL462410 OBDepict F O O NH I Ki = 0.26 nM 443.3 O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=CI)c1)N2 Homo sapiens CHEMBL1017073 cell-based format
CHEMBL381373 OBDepict CH 3 H 3 C N N H F F F HO O O OH Ki = 0.26 nM 430.47 CC(C)CN(Cc1cccc(C(F)(F)F)c1)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL76747 OBDepict H 3 C O S H N H CH 3 HO H O N H Ki = 0.27 nM 450.6 COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12 Homo sapiens CHEMBL866278 single protein format
CHEMBL3705037 OBDepict H 3 C O O Br N O O Ki = 0.27 nM 500.43 COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br Homo sapiens CHEMBL3705937 assay format
CHEMBL286312 OBDepict CH H N H Ki = 0.27 nM 273.38 C#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1 Homo sapiens CHEMBL4219661 single protein format
CHEMBL432394 OBDepict CH 3 N CH 3 S NH 2 Cl Ki = 0.27 nM 292.84 CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N Homo sapiens CHEMBL804589 single protein format
CHEMBL212452 OBDepict Br N CH 2 Ki = 0.28 nM 304.23 C=C1CN2C3CCC2C1C(c1ccc(Br)cc1)C3 Homo sapiens CHEMBL908066 cell-based format
CHEMBL382001 OBDepict CH 3 H 3 C N N H N HO O O HO Ki = 0.28 nM 387.48 CC(C)CN(Cc1ccc(C#N)cc1)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL253184 OBDepict OH NH 2 S N Br CH 3 H 3 C Ki = 0.29 nM 367.31 CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N Homo sapiens CHEMBL927452 cell-based format
CHEMBL471029 OBDepict CH 3 N H NH IC50 = 0.3 nM 282.43 CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 Homo sapiens CHEMBL954293 cell-based format
CHEMBL441358 OBDepict CH 3 H 3 C N NH F F F F HO O O OH Ki = 0.3 nM 448.46 CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL314163 OBDepict H N H 3 C O OH H N H H 3 C H S Ki = 0.3 nM 434.61 Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5sccc5c4)C[C@@H]3C)cccc2[nH]1 Homo sapiens CHEMBL615712 single protein format
CHEMBL309396 OBDepict F S H N H H 3 C OH H O N H Ki = 0.31 nM 438.57 C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL866278 single protein format
CHEMBL253387 OBDepict OH NH 2 S N I CH 3 H 3 C Ki = 0.31 nM 414.31 CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N Homo sapiens CHEMBL927452 cell-based format
CHEMBL552167 OBDepict N N H H H N H 3 C H 3 C IC50 = 0.32 nM 267.38 CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc12 Homo sapiens CHEMBL1064059 cell-based format
CHEMBL367408 OBDepict H 3 C O H HN H CH 2 IC50 = 0.32 nM 269.39 C=Cc1ccc([C@H]2CC3CCC(N3)[C@H]2C(=O)CC)cc1 Homo sapiens CHEMBL808141 single protein format
CHEMBL104673 OBDepict CH 3 N CH 3 S NH 2 F F F Ki = 0.33 nM 326.39 CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N Homo sapiens CHEMBL804589 single protein format
CHEMBL525952 OBDepict F O O NH Br Ki = 0.33 nM 382.27 O=C(OCCF)C1C2CCC(CC1c1cccc(/C=CBr)c1)N2 Homo sapiens CHEMBL1017073 cell-based format
CHEMBL462585 OBDepict F O O NH Br Ki = 0.33 nM 396.3 O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=CBr)c1)N2 Homo sapiens CHEMBL1017073 cell-based format
CHEMBL1788140 OBDepict CH 3 N H 3 C H H Cl Cl HO O O HO Ki = 0.33 nM 422.31 CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.O=C(O)/C=CC(=O)O Homo sapiens CHEMBL799116 single protein format
CHEMBL2112353 OBDepict H 3 C O H N H CH 3 OH H O N H 3 C H Ki = 0.34 nM 458.6 COc1cccc2ccc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)cc12 Homo sapiens CHEMBL615712 single protein format
CHEMBL353333 OBDepict H 3 C O O H NH H I IC50 = 0.36 nM 371.22 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2 Homo sapiens CHEMBL873260 single protein format
CHEMBL14613 OBDepict H 3 C O O NH I Ki = 0.36 nM 371.22 COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 Homo sapiens CHEMBL804588 cell-based format
CHEMBL186962 OBDepict CH 3 N CH 3 O NH 2 I Ki = 0.37 nM 368.22 CN(C)Cc1ccccc1Oc1ccc(I)cc1N Homo sapiens CHEMBL877452 cell-based format
CHEMBL1275730 OBDepict N N H H H N CH 3 H 3 C IC50 = 0.38 nM 253.35 CN(C)[C@H]1CC[C@@H](c2c[nH]c3ccc(C#N)cc23)C1 Homo sapiens CHEMBL1285514 single protein format
CHEMBL207374 OBDepict H 3 C CH 3 N N H CH 3 CH 3 HO O O OH Ki = 0.39 nM 390.52 Cc1ccc(CN(CC(C)C)C2CCNCC2)c(C)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL439849 OBDepict N N H N N O O H 2 N IC50 = 0.4 nM 441.54 N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1 Homo sapiens CHEMBL4122691 cell-based format
CHEMBL566396 OBDepict F N H N O O N O H Ki = 0.4 nM 449.53 O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 Homo sapiens CHEMBL1040199 cell-based format
CHEMBL457930 OBDepict N N H N H Ki = 0.4 nM 301.39 N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1 Homo sapiens CHEMBL944372 single protein format
CHEMBL207067 OBDepict OH O OH HO O HO F F F F N N H Ki = 0.4 nM 480.46 Fc1ccc(CN(CC2CC2)C2CCNCC2)c(C(F)(F)F)c1.O=C(O)C(O)C(O)C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL2112350 OBDepict CH 3 N H O HO H N H CH 3 H Ki = 0.4 nM 428.58 Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccccc5c4)C[C@@H]3C)cccc2[nH]1 Homo sapiens CHEMBL615712 single protein format
CHEMBL206152 OBDepict OH O OH HO O HO N N N H F F F F Ki = 0.4 nM 479.43 N#CCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1.O=C(O)C(O)C(O)C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL206153 OBDepict OH O OH HO O HO N N HN F F F F Ki = 0.4 nM 493.45 N#CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1.O=C(O)C(O)C(O)C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL4229131 OBDepict H 3 C O O I N O O Ki = 0.41 nM 549.45 COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)CCO4)CC2)ccc1I Homo sapiens CHEMBL4220992 cell-based format
CHEMBL462431 OBDepict F O O NH I Ki = 0.43 nM 429.27 O=C(OCCF)C1C2CCC(CC1c1cccc(/C=CI)c1)N2 Homo sapiens CHEMBL1017073 cell-based format
CHEMBL311964 OBDepict H 3 C S H N H H 3 C OH H O N H Ki = 0.44 nM 434.61 Cc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12 Homo sapiens CHEMBL866278 single protein format
CHEMBL196468 OBDepict N N H H H N H 3 C H 3 C IC50 = 0.48 nM 239.32 CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12 Homo sapiens CHEMBL940969 single protein format
CHEMBL1276165 OBDepict N N H N H 3 C CH 3 IC50 = 0.48 nM 253.35 CN(C)C1CCC(c2c[nH]c3ccc(C#N)cc23)C1 Homo sapiens CHEMBL1285514 single protein format
CHEMBL425589 OBDepict OH O O OH N N CH 3 CH 3 NH Ki = 0.48 nM 387.48 CC(C)CN(Cc1cccc(C#N)c1)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL208533 OBDepict CH 3 H 3 C N N H Cl F F F OH O O OH Ki = 0.48 nM 464.91 CC(C)CN(Cc1cccc(C(F)(F)F)c1Cl)C1CCNCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL853187 single protein format
CHEMBL189367 OBDepict CH 3 NH 2 S N CH 3 H 3 C Ki = 0.49 nM 286.44 CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1 Homo sapiens CHEMBL830133 cell-based format
CHEMBL439849 OBDepict N N H N N O O H 2 N Ki = 0.5 nM 441.54 N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1 Homo sapiens CHEMBL2037807 single protein format
CHEMBL124069 OBDepict F O O N H N H F Ki = 0.5 nM 386.44 Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2 Homo sapiens CHEMBL881225 single protein format
CHEMBL311701 OBDepict H N O HO H N H CH 3 H S Ki = 0.51 nM 420.58 C[C@H]1C[C@H](c2cc3ccccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL866278 single protein format
CHEMBL278165 OBDepict OH S Br N CH 3 CH 3 Ki = 0.52 nM 352.3 CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO Homo sapiens CHEMBL805626 cell-based format
CHEMBL421660 OBDepict H 3 C N H O OH H N H H 3 C H S Ki = 0.53 nM 434.61 Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5ccccc5s4)C[C@@H]3C)cccc2[nH]1 Homo sapiens CHEMBL615712 single protein format
CHEMBL204199 OBDepict CH 3 N CH 3 O H 2 N CH 3 Ki = 0.53 nM 256.35 Cc1ccc(Oc2ccccc2CN(C)C)c(N)c1 Homo sapiens CHEMBL867191 single protein format
CHEMBL2112356 OBDepict H N H 3 C O OH H N H H 3 C H S H 3 C Ki = 0.54 nM 448.63 Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5scc(C)c5c4)C[C@@H]3C)cccc2[nH]1 Homo sapiens CHEMBL615712 single protein format
CHEMBL196468 OBDepict N N H H H N H 3 C H 3 C Ki = 0.56 nM 239.32 CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12 Homo sapiens CHEMBL884752 single protein format
CHEMBL304656 OBDepict CH 3 O O H N H H Cl Cl Ki = 0.56 nM 352.26 COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23 Homo sapiens CHEMBL802164 cell-based format
CHEMBL190937 OBDepict OH NH 2 S N CH 3 H 3 C Ki = 0.57 nM 288.42 CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Homo sapiens CHEMBL830133 cell-based format